3-amino-N-(3,4-dicyanophenyl)-1-methylpyrazole-4-sulfonamide

C12H10N6O2S — CID 107786922

IUPAC3-amino-N-(3,4-dicyanophenyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(C#N)c(C#N)c2)c(N)n1
InChIInChI=1S/C12H10N6O2S/c1-18-7-11(12(15)16-18)21(19,20)17-10-3-2-8(5-13)9(4-10)6-14/h2-4,7,17H,1H3,(H2,15,16)
InChIKeyOREPBINJQIEGTN-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.55
Rot. Bonds3

About 3-amino-N-(3,4-dicyanophenyl)-1-methylpyrazole-4-sulfonamide

3-amino-N-(3,4-dicyanophenyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 107786922) has the molecular formula C12H10N6O2S and a molecular weight of 302.32 g/mol. Its IUPAC name is 3-amino-N-(3,4-dicyanophenyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dicyanophenyl)-1-methylpyrazole-4-sulfonamide
PubChem CID107786922
Molecular FormulaC12H10N6O2S
Molecular Weight302.32 g/mol
Exact Mass302.06
IUPAC Name3-amino-N-(3,4-dicyanophenyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(C#N)c(C#N)c2)c(N)n1
InChIInChI=1S/C12H10N6O2S/c1-18-7-11(12(15)16-18)21(19,20)17-10-3-2-8(5-13)9(4-10)6-14/h2-4,7,17H,1H3,(H2,15,16)
InChIKeyOREPBINJQIEGTN-UHFFFAOYSA-N
XLogP0.55
TPSA137.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 55201167
3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808628
4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 60809576
4-amino-N-(3,4-dicyanophenyl)pyridine-3-sulfonamide
CID 107793321
3-amino-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 107571230
3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 79049233
N-(3,4-dicyanophenyl)-1-ethylimidazole-4-sulfonamide
CID 107796632
3-amino-N-(2,5-dibromophenyl)-1-methylpyrazole-4-sulfonamide
CID 61466411
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-methylpyrazole-4-sulfonamide
CID 104616984
3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808613
N-(3,4-dicyanophenyl)benzenesulfonamide
CID 113220864
3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 60813860

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dicyanophenyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(3,4-dicyanophenyl)-1-methylpyrazole-4-sulfonamide (CID 107786922) is 3-amino-N-(3,4-dicyanophenyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(3,4-dicyanophenyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(3,4-dicyanophenyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccc(C#N)c(C#N)c2)c(N)n1.
What is the InChIKey of 3-amino-N-(3,4-dicyanophenyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is OREPBINJQIEGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2S/c1-18-7-11(12(15)16-18)21(19,20)17-10-3-2-8(5-13)9(4-10)6-14/h2-4,7,17H,1H3,(H2,15,16).
What are the key properties of 3-amino-N-(3,4-dicyanophenyl)-1-methylpyrazole-4-sulfonamide?
3-amino-N-(3,4-dicyanophenyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 302.32 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dicyanophenyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 107786922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).